============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 1 1.000 57.225 14.603 55.488 -99.200 -91.000 TYR 21 0.840 46.645 16.069 36.710 -99.200 -91.000 PHE 43 1.000 58.819 8.472 44.656 -99.200 -91.000 HIS 45 0.900 63.057 15.499 51.493 -99.200 -91.000 TYR 48 0.840 67.136 20.348 59.226 -99.200 -91.000 TYR 55 0.840 56.939 9.732 65.118 -99.200 -91.000 TYR 64 0.840 35.752 13.961 46.349 -99.200 -91.000 PHE 71 1.000 35.653 0.804 39.802 -99.200 -91.000 TYR 77 0.840 49.941 4.902 55.501 -99.200 -91.000 TYR 82 0.840 44.664 0.487 57.881 -99.200 -91.000 PHE 84 1.000 39.634 5.660 48.695 -99.200 -91.000 TYR 95 0.840 58.218 9.011 55.056 -99.200 -91.000 TRP 103 1.040 52.040 8.781 52.150 -99.200 -91.000 TRP6 103 1.020 49.963 9.583 51.358 -99.200 -91.000 TYR 108 0.840 45.516 -3.378 46.205 -99.200 -91.000 TYR 137 0.840 63.041 19.970 67.046 -99.200 -91.000 PHE 142 1.000 53.773 21.995 59.462 -99.200 -91.000 PHE 144 1.000 53.555 17.936 53.545 -99.200 -91.000 TRP 146 1.040 49.747 13.920 48.643 -99.200 -91.000 TRP6 146 1.020 51.604 14.846 47.483 -99.200 -91.000 TYR 149 0.840 41.944 16.339 39.619 -99.200 -91.000